CID 112171

69898-41-5

Structural Information

Molecular Formula
C30H33N3O3
SMILES
CCN1C(=C(C2=CC=CC=C21)C3(C4=C(C(=O)O3)N=CC=C4)C5=C(C=C(C=C5)N(CC)CC)OCC)C
InChI
InChI=1S/C30H33N3O3/c1-6-32(7-2)21-16-17-23(26(19-21)35-9-4)30(24-14-12-18-31-28(24)29(34)36-30)27-20(5)33(8-3)25-15-11-10-13-22(25)27/h10-19H,6-9H2,1-5H3
InChIKey
OIIAWEYLHHHZJC-UHFFFAOYSA-N
Compound name
5-[4-(diethylamino)-2-ethoxyphenyl]-5-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

574
Patents

483.2522 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.25948 220.7
[M+Na]+ 506.24142 236.2
[M+NH4]+ 501.28602 229.1
[M+K]+ 522.21536 229.1
[M-H]- 482.24492 228.6
[M+Na-2H]- 504.22687 228.1
[M]+ 483.25165 225.6
[M]- 483.25275 225.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe